Super-resolution of sodium images from simultaneous 1 H MRF/23 Na MRI acquisition.

In this work, we introduce a super-resolution method that generates a high-resolution (HR) sodium (23 Na) image from simultaneously acquired low-resolution (LR) 23 Na density-weighted MRI and HR proton density, T1 , and T2 maps from proton (1 H) MR fingerprinting in the brain at 7 T. The core of our method is a partial least squares regression between the HR (1 H) images and the LR (23 Na) image. An iterative loop and deconvolution with the point spread function of each acquired image were included in the algorithm to generate a final HR 23 Na image without losing features from the LR 23 Na image. The method was applied to simultaneously acquired HR proton and LR sodium data with in-plane resolution ratios between sodium and proton data of 3.8 and 1.9 and the same slice thickness. Four volunteers were scanned to evaluate the method's performance. For the data with a resolution ratio of 3.8, the mean absolute difference between the generated and ground truth HR 23 Na images was in the range of 1.5%-7.2% of the ground truth with a multiscale structural similarity index (M-SSIM) of 0.93 ± 0.03. For the data with a resolution ratio of 1.9, the mean absolute difference was in the range of 4.8%-6.3% with an M-SSIM of 0.95 ± 0.01.

Repeatability of simultaneous 3D 1H MRF/23Na MRI in brain at 7 T.

Proton MRI can provide detailed morphological images, but it reveals little information about cell homeostasis. On the other hand, sodium MRI can provide metabolic information but cannot resolve fine structures. The complementary nature of proton and sodium MRI raises the prospect of their combined use in a single experiment. In this work, we assessed the repeatability of normalized proton density (PD), T1, T2, and normalized sodium density-weighted quantification measured with simultaneous 3D 1H MRF/23Na MRI in the brain at 7 T, from ten healthy volunteers who were scanned three times each. The coefficients of variation (CV) and the intra-class correlation (ICC) were calculated for the mean and standard deviation (SD) of these 4 parameters in grey matter, white matter, and cerebrospinal fluid. As result, the CVs were lower than 3.3% for the mean values and lower than 6.9% for the SD values. The ICCs were higher than 0.61 in all 24 measurements. We conclude that the measurements of normalized PD, T1, T2, and normalized sodium density-weighted from simultaneous 3D 1H MRF/23Na MRI in the brain at 7 T showed high repeatability. We estimate that changes > 6.6% (> 2 CVs) in mean values of both 1H and 23Na metrics could be detectable with this method.

Investigation of Glass-Ceramic Lithium Thiophosphate Solid Electrolytes Using NMR and Neutron Scattering.

Solid-state Li batteries require solid electrolytes which have high Li+ conductivity and good chemical/mechanical compatibility with Li metal anodes and high energy cathodes. Structure/function correlations which relate local bonding to macroscopic properties are needed to guide development of new solid electrolyte materials. This study combines diffraction measurements with solid-state nuclear magnetic resonance spectroscopy (ssNMR) and neutron pair distribution function (nPDF) analysis to probe the short-range vs. long-range structure of glass-ceramic Li3PS4-based solid electrolytes. This work demonstrates how different synthesis conditions (e.g., solvent selection and thermal processing) affect the resulting polyanionic network. More specifically, structures with high P coordination numbers (e.g., PS4 3- and P2S7 4-) correlate with higher Li+ mobility compared to other polyanions (e.g., (PS3)n n- chains and P2S6 4-). Overall, this work demonstrates how ssNMR and nPDF can be used to draw key structure/function correlations for solid-state superionic conductors.

Conditional rotations of heteronuclear coupled spins.

We present a new pulse sequence that conditionally excites I spin magnetization only in the presence of a nonzero heteronuclear coupling to an S spin. The pulse sequence, referred to as the reverse INEPT pathway selective pulse or RIPSP, generates a pure I spin rotation by an angle that depends upon the heteronuclear coupling constant in InS spin systems. Experimental demonstrations are shown in (13)C labeled chloroform, dichloromethane, and toluene samples and in unlabeled 2,3-dibromopropionic acid and brucine samples.

Comparison of effectiveness of removal of nuisance anions by metalloligs, metal derivatives of Octolig.

The present study describes the effectiveness of removal of selected aqueous anions by several metalloligs, i.e., metal derivatives of a commercially available immobilized ligand, IMLIG, Octolig. This material consists of polyethylenediamine moieties covalently bound to a high-surface area silica gel (CAS Registry number = 404899-06-5). The metals involved are copper, cobalt, iron, nickel, manganese, and thorium. The nuisance anions, studied as aqueous solutions, were arsenate, orthophosphate, selenite, sulfate, nitrate, and nitrite. All six metalloligs tested were able to remove arsenate (280 ppb, > 99% removal) effectively. The effectiveness for other anions varied, but all anions were removed by one metallolig or another. For example, for Colbaltilig, in deionized water samples, removal was 96% for 20.9 ppm NO(3)-N, 98% for 29.6 ppm sulfate (as sodium sulfate). For Cuprilig, removal was 98% for 9.82 ppm boron as boric acid, > 99% for Cr as 212 ppm dichromate, 97% for P as 10 ppm HPO(4)-P, and 90% for sulfate as 29 ppm sulfate. Removal of nitrate by Cobaltilig appeared to be adversely affected by the presence of sulfate. Manganilig and Nickelig were able to remove > 97% of 10 ppm P as Na(2)HPO(4). Mechanisms of interaction are proposed that suggest six types of behavior and several classes of materials are represented by these metalloligs.

Removal of nuisance aqueous anions with Ferrilig.

The present study describes an improved synthesis of Ferrilig, an iron(III) salt of a commercially available immobilized ligand, IMLIG, called Octolig. The resulting composite, called "Ferrilig" was used to remove arsenate, chromate, molybdate, and selenite ions from aqueous solutions by means of column chromatography. The synthesis of Ferrilig was accomplished by treating an aqueous suspension of Octolig-21 with an equal weight of ferrous sulfate heptahydrate under nitrogen. The ferrous salt was then collected by sieving and allowed to oxidize to the iron (III) salt by exposure to air; treatment with dilute sodium hydroxide converted the composite to the hydroxide. Using 300 ppb As (as Na(2)HAsO(4).7H(2)O) and column chromatography, the arsenic concentration in the effluent was less than the detection limit (< 2 ppb). Chromium as sodium chromate, molybdenum as (NH(4))(6) Mo(7)O(24).4H(2)O, and selenium as Na(2)Se0(3), were removed with fair success. The elements, their initial concentrations and their percentage removal (parenthetically) were: As (280 ppb, 99%), Cr (50.6 ppm, 95.5%), Mo (50.7 ppm, 94.6%), Se (258 ppm, 99.9%).